4,6-difluoro-2-piperidin-1-ylpyrimidine

C9H11F2N3 — CID 608057

IUPAC4,6-difluoro-2-piperidin-1-ylpyrimidine
SMILESFc1cc(F)nc(N2CCCCC2)n1
InChIInChI=1S/C9H11F2N3/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyNEGVMBJOUHSVEN-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.75
Rot. Bonds1

About 4,6-difluoro-2-piperidin-1-ylpyrimidine

4,6-difluoro-2-piperidin-1-ylpyrimidine (PubChem CID 608057) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 4,6-difluoro-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-difluoro-2-piperidin-1-ylpyrimidine
PubChem CID608057
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name4,6-difluoro-2-piperidin-1-ylpyrimidine
SMILESFc1cc(F)nc(N2CCCCC2)n1
InChIInChI=1S/C9H11F2N3/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyNEGVMBJOUHSVEN-UHFFFAOYSA-N
XLogP1.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
2-(Piperidin-1-yl)pyrimidine
CID 11446518
4-Azepan-1-yl-6-fluoropyrimidin-2-amine
CID 676798
2,6-difluoro-N,N-dimethylpyrimidin-4-amine
CID 594436
2-(Piperidin-1-yl)pyrimidine-4,6-diamine
CID 16653160
N,N-dimethyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 122281919
2,6-Di(piperidin-1-yl)pyrimidin-4-amine
CID 837990
6-(Piperidin-1-yl)pyrimidin-4-amine
CID 12461866
4,6-Dichloro-2-(piperidin-1-yl)pyrimidine
CID 231258
4,6-difluoro-N,N-dimethylpyrimidin-2-amine
CID 594438
2,4-Difluoro-6-piperidinopyrimidine
CID 598527

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4,6-difluoro-2-piperidin-1-ylpyrimidine (CID 608057) is 4,6-difluoro-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4,6-difluoro-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4,6-difluoro-2-piperidin-1-ylpyrimidine is Fc1cc(F)nc(N2CCCCC2)n1.
What is the InChIKey of 4,6-difluoro-2-piperidin-1-ylpyrimidine?
The InChIKey is NEGVMBJOUHSVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 4,6-difluoro-2-piperidin-1-ylpyrimidine?
4,6-difluoro-2-piperidin-1-ylpyrimidine has a molecular weight of 199.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 608057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).